Quantum Chemical Molecular Dynamics Simulation of the Plasma Etching Processes
β Scribed by Sasata, Katsumi; Yokosuka, Toshiyuki; Kurokawa, Hitoshi; Takami, Seiichi; Kubo, Momoji; Imamura, Akira; Shinmura, Tadashi; Kanoh, Masaaki; Selvam, Parasuraman; Miyamoto, Akira
- Book ID
- 111952247
- Publisher
- Institute of Pure and Applied Physics
- Year
- 2003
- Tongue
- English
- Weight
- 273 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0021-4922
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π SIMILAR VOLUMES
We derive for the fast time a mechanism of reactive plasma etch-mg in the system Si/F by the quantum-chemical approach. Sii-'+ic species at the surface play an important role. Sil'3 surface compleses also occur. The final etching braduct Siiy4 is formed with high probability in the gas phase.
## Abstract Herein, we present theoretical results on the conformational properties of benzylpenicillin, which are characterized by means of quantum chemical calculations (MP2/6β31G\* and B3LYP/6β31G\*) and classical molecular dynamics simulations (5 ns) both in the gas phase and in aqueous solutio